6-(Hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol

Details

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Internal ID 386a00f9-ee82-4a2b-810d-6d575afa3602
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 6-(hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H26O3/c1-13(9-10-16)5-3-7-15(12-18)8-4-6-14(2)11-17/h6-7,9,16-18H,3-5,8,10-12H2,1-2H3
InChI Key MOFGXPKHCUZJEB-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O3
Molecular Weight 254.36 g/mol
Exact Mass 254.18819469 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 2.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-(Hydroxymethyl)-2,10-dimethyldodeca-2,6,10-triene-1,12-diol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 85.39% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.05% 96.09%
CHEMBL2581 P07339 Cathepsin D 83.85% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.87% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.75% 99.17%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Arctotis venusta

Cross-Links

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PubChem 91054299
LOTUS LTS0162261
wikiData Q105168865